EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H19FN2O3S |
| Net Charge | 0 |
| Average Mass | 470.525 |
| Monoisotopic Mass | 470.11004 |
| SMILES | O=C(OCc1ccc(CSc2nnc(-c3cccc4ccccc34)o2)cc1)c1ccc(F)cc1 |
| InChI | InChI=1S/C27H19FN2O3S/c28-22-14-12-21(13-15-22)26(31)32-16-18-8-10-19(11-9-18)17-34-27-30-29-25(33-27)24-7-3-5-20-4-1-2-6-23(20)24/h1-15H,16-17H2 |
| InChIKey | LSBQZXGOQACJTN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-fluorobenzoic acid [4-[[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]phenyl]methyl ester (CHEBI:92479) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2596 | LINCS |